(2E,4Z)-octa-2,4-dien-3-ol

C8H14O — CID 144538239

IUPAC(2E,4Z)-octa-2,4-dien-3-ol
SMILESC/C=C(O)\C=C/CCC
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4,6-7,9H,3,5H2,1-2H3/b7-6-,8-4+
InChIKeyPZIYRDAWPYBMKB-AKAREZBESA-N
MW126.20 g/mol
LogP2.80
Rot. Bonds3

About (2E,4Z)-octa-2,4-dien-3-ol

(2E,4Z)-octa-2,4-dien-3-ol (PubChem CID 144538239) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (2E,4Z)-octa-2,4-dien-3-ol.

Molecular Properties

Compound Name(2E,4Z)-octa-2,4-dien-3-ol
PubChem CID144538239
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(2E,4Z)-octa-2,4-dien-3-ol
SMILESC/C=C(O)\C=C/CCC
InChIInChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4,6-7,9H,3,5H2,1-2H3/b7-6-,8-4+
InChIKeyPZIYRDAWPYBMKB-AKAREZBESA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-hex-2-enoic acid
CID 5282707
docosakis(hex-2-enoic acid);phosphane
CID 174896095
(4E,7E)-undeca-4,7-dien-6-one
CID 23366329
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
heptadeca-2,4,11,13,15-pentaene-3,13-diol
CID 171853113
3-(trifluoromethyl)octa-2,4-diene
CID 123687323
acetic acid;(E)-hex-2-ene
CID 174958018
ethane;(E)-oct-4-ene
CID 142055407
(4E,8E)-dodeca-4,8-diene
CID 12576905
(4Z,8E)-dodeca-4,8-diene
CID 12576906
carboxy hex-2-enoate
CID 150448885

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-octa-2,4-dien-3-ol?
The IUPAC name of (2E,4Z)-octa-2,4-dien-3-ol (CID 144538239) is (2E,4Z)-octa-2,4-dien-3-ol.
What is the SMILES notation for (2E,4Z)-octa-2,4-dien-3-ol?
The canonical SMILES for (2E,4Z)-octa-2,4-dien-3-ol is C/C=C(O)\C=C/CCC.
What is the InChIKey of (2E,4Z)-octa-2,4-dien-3-ol?
The InChIKey is PZIYRDAWPYBMKB-AKAREZBESA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4,6-7,9H,3,5H2,1-2H3/b7-6-,8-4+.
What are the key properties of (2E,4Z)-octa-2,4-dien-3-ol?
(2E,4Z)-octa-2,4-dien-3-ol has a molecular weight of 126.20 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-octa-2,4-dien-3-ol is sourced from PubChem (CID 144538239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).